4-hydroxy-3-prop-2-enylbenzoic acid;zinc

C10H10O3Zn — CID 67875987

IUPAC4-hydroxy-3-prop-2-enylbenzoic acid;zinc
SMILESC=CCc1cc(C(=O)O)ccc1O.[Zn]
InChIInChI=1S/C10H10O3.Zn/c1-2-3-7-6-8(10(12)13)4-5-9(7)11;/h2,4-6,11H,1,3H2,(H,12,13);
InChIKeyCYKCNMPEVPUKPY-UHFFFAOYSA-N
MW243.58 g/mol
LogP1.82
Rot. Bonds3

About 4-hydroxy-3-prop-2-enylbenzoic acid;zinc

4-hydroxy-3-prop-2-enylbenzoic acid;zinc (PubChem CID 67875987) has the molecular formula C10H10O3Zn and a molecular weight of 243.58 g/mol. Its IUPAC name is 4-hydroxy-3-prop-2-enylbenzoic acid;zinc.

Molecular Properties

Compound Name4-hydroxy-3-prop-2-enylbenzoic acid;zinc
PubChem CID67875987
Molecular FormulaC10H10O3Zn
Molecular Weight243.58 g/mol
Exact Mass241.99
IUPAC Name4-hydroxy-3-prop-2-enylbenzoic acid;zinc
SMILESC=CCc1cc(C(=O)O)ccc1O.[Zn]
InChIInChI=1S/C10H10O3.Zn/c1-2-3-7-6-8(10(12)13)4-5-9(7)11;/h2,4-6,11H,1,3H2,(H,12,13);
InChIKeyCYKCNMPEVPUKPY-UHFFFAOYSA-N
XLogP1.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.58
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid
CID 139984782
2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone
CID 170896149
4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]benzoic acid
CID 131839381
4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol
CID 142679374
3,4,5-tris(prop-2-enyl)benzoic acid
CID 69493065
3-[(1-ethenylcyclopentyl)methyl]-4-hydroxybenzoic acid
CID 174629652
4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid
CID 174573834
4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol
CID 139713899
4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664
3-dec-2-enyl-4-hydroxybenzoic acid
CID 158619955
3-[[2-[(5-carboxy-2-hydroxyphenyl)methylamino]ethylamino]methyl]-4-hydroxybenzoic acid
CID 102164830
3-(diazenylmethyl)-4-hydroxybenzoic acid
CID 123518524

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-prop-2-enylbenzoic acid;zinc?
The IUPAC name of 4-hydroxy-3-prop-2-enylbenzoic acid;zinc (CID 67875987) is 4-hydroxy-3-prop-2-enylbenzoic acid;zinc.
What is the SMILES notation for 4-hydroxy-3-prop-2-enylbenzoic acid;zinc?
The canonical SMILES for 4-hydroxy-3-prop-2-enylbenzoic acid;zinc is C=CCc1cc(C(=O)O)ccc1O.[Zn].
What is the InChIKey of 4-hydroxy-3-prop-2-enylbenzoic acid;zinc?
The InChIKey is CYKCNMPEVPUKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3.Zn/c1-2-3-7-6-8(10(12)13)4-5-9(7)11;/h2,4-6,11H,1,3H2,(H,12,13);.
What are the key properties of 4-hydroxy-3-prop-2-enylbenzoic acid;zinc?
4-hydroxy-3-prop-2-enylbenzoic acid;zinc has a molecular weight of 243.58 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-prop-2-enylbenzoic acid;zinc is sourced from PubChem (CID 67875987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).